Project description

hiPhive is a tool for efficiently extracting high-order force constants
from atomistic simulations, most commonly density functional theory
calculations. A detailed description of the functionality provided as well as an
extensive tutorial can be found in the
user guide

hiPhive is written in Python, which allows
easy integration with countless first-principles codes and analysis tools
accessible in Python, and allows for a simple and intuitive user interface. For
example using the following snippet one can train a force constant potential: